5HFE

The third PDZ domain from the synaptic protein PSD-95 (G330T, H372A double mutant) in complex with a C-terminal peptide derived from CRIPT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 41 3 2
Unit cell lengths	89.751, 89.751, 89.751
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.138 - 1.800
R-factor	0.179
Rwork	0.175
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1be9
RMSD bond length	0.014
RMSD bond angle	1.414
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_2026)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.138	1.872
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.594
Number of reflections	11944
<I/σ(I)>	50.539	1.815
Completeness [%]	99.5
Redundancy	18.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	Peptide was included in protein buffer to a final molar ratio of 2:1 relative to protein. Reservoir solution contained 1.25 M sodium citrate, pH 7.0. Equal amounts (1.5 microliters) of protein (9 mg/mL) and reservoir solution were mixed and equillibrated against 500 microliters of crystallization buffer.